2-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol

C17H15N3O — CID 135495588

IUPAC2-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol
SMILESCn1c(/C=C/c2ccccc2)nnc1-c1ccccc1O
InChIInChI=1S/C17H15N3O/c1-20-16(12-11-13-7-3-2-4-8-13)18-19-17(20)14-9-5-6-10-15(14)21/h2-12,21H,1H3/b12-11+
InChIKeyMHFXEAFCHFLVOM-VAWYXSNFSA-N
MW277.33 g/mol
LogP3.36
Rot. Bonds3

About 2-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol

2-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol (PubChem CID 135495588) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol
PubChem CID135495588
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol
SMILESCn1c(/C=C/c2ccccc2)nnc1-c1ccccc1O
InChIInChI=1S/C17H15N3O/c1-20-16(12-11-13-7-3-2-4-8-13)18-19-17(20)14-9-5-6-10-15(14)21/h2-12,21H,1H3/b12-11+
InChIKeyMHFXEAFCHFLVOM-VAWYXSNFSA-N
XLogP3.36
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenol
CID 2312645
(6E)-6-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one
CID 389407
2-(5-Phenyl-1H-[1,2,4]triazol-3-yl)-phenol
CID 677535
2-(5,6-Dihydro-6-methylthiazolo(2,3-c)-1,2,4-triazol-3-yl)phenol
CID 355466
3-({[5-(2-hydroxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
CID 713086
2-(3-methyl-1-phenyl-1H-1,2,4-triazol-5-yl)phenol
CID 2305193
4-Methyl-3-[2-(trifluoromethoxy)phenyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 11625219
2-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)phenol
CID 135465949
4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol
CID 2768020
4-(5-Benzylsulfanyl-4-methyl-4H-[1,2,4]triazol-3-yl)-phenol
CID 865786
2-(4H-1,2,4-triazol-3-yl)phenol
CID 136008534
2-(3-ethyl-1-phenyl-1H-1,2,4-triazol-5-yl)phenol
CID 895860

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol (CID 135495588) is 2-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol is Cn1c(/C=C/c2ccccc2)nnc1-c1ccccc1O.
What is the InChIKey of 2-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol?
The InChIKey is MHFXEAFCHFLVOM-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H15N3O/c1-20-16(12-11-13-7-3-2-4-8-13)18-19-17(20)14-9-5-6-10-15(14)21/h2-12,21H,1H3/b12-11+.
What are the key properties of 2-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol?
2-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol has a molecular weight of 277.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 135495588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).